1-[2-chloro-6-(2,2-difluoroethoxy)phenyl]butan-2-amine

C12H16ClF2NO — CID 114321969

IUPAC1-[2-chloro-6-(2,2-difluoroethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1c(Cl)cccc1OCC(F)F
InChIInChI=1S/C12H16ClF2NO/c1-2-8(16)6-9-10(13)4-3-5-11(9)17-7-12(14)15/h3-5,8,12H,2,6-7,16H2,1H3
InChIKeyZOWQAVSJOVXFSG-UHFFFAOYSA-N
MW263.71 g/mol
LogP3.26
Rot. Bonds6

About 1-[2-chloro-6-(2,2-difluoroethoxy)phenyl]butan-2-amine

1-[2-chloro-6-(2,2-difluoroethoxy)phenyl]butan-2-amine (PubChem CID 114321969) has the molecular formula C12H16ClF2NO and a molecular weight of 263.71 g/mol. Its IUPAC name is 1-[2-chloro-6-(2,2-difluoroethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-chloro-6-(2,2-difluoroethoxy)phenyl]butan-2-amine
PubChem CID114321969
Molecular FormulaC12H16ClF2NO
Molecular Weight263.71 g/mol
Exact Mass263.09
IUPAC Name1-[2-chloro-6-(2,2-difluoroethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1c(Cl)cccc1OCC(F)F
InChIInChI=1S/C12H16ClF2NO/c1-2-8(16)6-9-10(13)4-3-5-11(9)17-7-12(14)15/h3-5,8,12H,2,6-7,16H2,1H3
InChIKeyZOWQAVSJOVXFSG-UHFFFAOYSA-N
XLogP3.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.71
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-ethoxyphenyl)butan-2-amine
CID 114322005
1-[2-chloro-6-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]butan-2-amine
CID 116617169
1-[3-chloro-2-(2,2-difluoroethoxy)phenyl]butan-2-amine
CID 112615794
1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine
CID 63817705
1-[2-(2-bromoprop-2-enoxy)-6-chlorophenyl]butan-2-amine
CID 113277161
1-[2-chloro-6-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine
CID 114321998
1-[2-chloro-6-(cyclohexylmethoxy)phenyl]butan-2-amine
CID 114322036
1-[2-chloro-6-(3-pyrrolidin-1-ylpropoxy)phenyl]butan-2-amine
CID 114322152
1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]butan-2-amine
CID 63879542
3-[2-(2-aminobutyl)-3-chlorophenoxy]-N-methylpropanamide
CID 114322156
1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine
CID 114321739
1-[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)methoxy]phenyl]butan-2-amine
CID 114321984

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(2,2-difluoroethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[2-chloro-6-(2,2-difluoroethoxy)phenyl]butan-2-amine (CID 114321969) is 1-[2-chloro-6-(2,2-difluoroethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[2-chloro-6-(2,2-difluoroethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[2-chloro-6-(2,2-difluoroethoxy)phenyl]butan-2-amine is CCC(N)Cc1c(Cl)cccc1OCC(F)F.
What is the InChIKey of 1-[2-chloro-6-(2,2-difluoroethoxy)phenyl]butan-2-amine?
The InChIKey is ZOWQAVSJOVXFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF2NO/c1-2-8(16)6-9-10(13)4-3-5-11(9)17-7-12(14)15/h3-5,8,12H,2,6-7,16H2,1H3.
What are the key properties of 1-[2-chloro-6-(2,2-difluoroethoxy)phenyl]butan-2-amine?
1-[2-chloro-6-(2,2-difluoroethoxy)phenyl]butan-2-amine has a molecular weight of 263.71 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(2,2-difluoroethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 114321969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).